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Application

Discovery Studio 1.0 Materials Studio 0.9825110267719767 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0679107618913989 Amorphous Cell 0.2752209905991301 Blends 0.0030166970674898276 CASTEP 0.41742668724568543 CDOCKER 0.17910761891398905 CHARMm 0.25824330012628033 COMPASS 0.37610495299565033 COMPASS III 0.07078714746737758 COSMObase 0.002736074084467518 COSMOconf 0.003086852813245405 COSMOmic 2.1046723726673216E-4 COSMOperm 0.0011926476778448155 COSMOplex 3.507787287778869E-4 COSMOquick 0.0016135821523782798 COSMOtherm 0.06384172863757542 Cantera 7.015574575557738E-5 Catalyst 0.11814227585239231 Classical Simulations 1.0 Conformers 0.001473270660867125 Crystallization 0.0766100743650905 DFTB Plus 0.0059632383892240775 DMol3 0.1928581450820822 DPD 0.003157008559000982 Discover 0.005261680931668304 Forcite 0.5324119545390767 GULP 0.027711519573453067 Kinetix 2.1046723726673216E-4 LUDI 0.006033394134979655 LibDock 0.0713483934334222 LigandFit 0.008488845236424862 MCSS 0.0016135821523782798 MODELER 0.19454188298021607 MesoDyn 0.0017538936438894345 Mesocite 0.004489967728356952 Mesoscale 0.008208222253402554 Modules 0.0 Morphology 0.01788971516767223 ONETEP 0.0012628034236003929 Polymorph 0.0018942051354005893 QMERA 2.1046723726673216E-4 QSAR 0.001473270660867125 Quantum Mechanics 0.5973761751087414 Reflex 0.05654553107899537 Reflex Plus 7.015574575557738E-4 Semi-empirical 0.008067910761891398 Sorption 0.05387961274028343 Synthia 0.0014031149151115475 TURBOMOLE 4.910902202890417E-4 VAMP 0.0017538936438894345 Visualization 0.8886628314858986 X-Cell 0.001122491932089238 ZDOCK 0.030938683878209625

Year

2020 0.08145829808830993 2021 0.2554559296227373 2022 0.29402808323464724 2023 0.5426323803079005 2024 1.0 2025 0.9674335983759094 2026 0.35958382676366096 2027 0.0

Keywords

target 1.0 potential 0.25197587963234 visualization 0.21158011826005504 docking 0.20991159768163456 analysis 0.17138926292371642 between 0.15078157016568117 novel 0.09794508518236637 energy 0.08052807212692466 binding 0.06647737251917335 cell 0.05567589719571454 activity 0.05046542942450676 promising 0.03910778057490779 interaction 0.03904923599320883 experimental 0.02707686903577074 synthesized 0.026227972601135765 stability 0.021515133774369182 protein 0.018792810725367367 mechanism 0.016246121421462444 development 0.013962882735202856 effective 0.01355307066331011 synthesis 0.010772203032609331 performance 0.010655113869211405 including 0.0032784965751419706 chemical 0.0028394122123997423 design 0.0
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